Gas adsorption on single-wall carbon nanotube bundles and charcoal samples

Novel polygonized single-wall carbon nanotube bundles.

We have synthesized novel crystalline ropes of "polygonized" single-wall carbon nanotubes (SWCNTs). The tubes exhibit rounded-hexagonal cross sections in contrast to the earlier observations of nearly circular tubes. To investigate the structural characteristics of the lattice of SWCNTs we have performed extensive molecular-dynamics simulations. We find several metastable structures of the latt...

Gas molecule adsorption in carbon nanotubes and nanotube bundles

We studied various gas molecules (NO2, O2, NH3, N2, CO2, CH4, H2O, H2, Ar) on single-walled carbon nanotubes (SWNTs) and bundles using first principles methods. The equilibrium position, adsorption energy, charge transfer, and electronic band structures are obtained for different kinds of SWNTs. Most molecules adsorb weakly on SWNTs and can be either charge donors or acceptors to the nanotubes....

Pressure Effects on Single Wall Carbon Nanotube Bundles

We report high pressure Raman studies on single wall carbon nanotube bundles under hydrostatic conditions using two different pressure transmitting media, alcohol mixture and pure water. The radial and tangential modes show a blue shift when SWNT bundle is immersed in the liquids at ambient pressures. The pressure dependence of the radial modes is the same in both liquids. However, the pressure...

Adsorption of He atoms in external grooves of single wall carbon nanotube bundles

I calculate the quantum states for He atom in the potential of an external groove of the single wall carbon nanotube bundle. The calculated ground state energy is found to be in fair agreement with the experimental estimate which suggests that the outer groove site is a preferential site for the adsorption of He gas in the samples studied experimentally. I also calculate the specific heat of lo...

Kinetic Selectivity and Competitive Adsorption on Carbon Nanotube Bundles